SCHEMBL6582308

SCHEMBL6582308

COc1c(O)c2ccc([N+](=O)[O-])cc2n(CCO)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
NOX4 Q9NPH5 3/20 0.41
CYP1A2 P05177 1/20 0.40
SRC P12931 2/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
F2R P25116 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
HTT P42858 1/20 0.38
ASH1L Q9NR48 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8004065 0.89 KDM4E (0.44) MAPTCYP1A2TDP1ALDH1A1LMNA
SCHEMBL6579909 0.88 CYP1A2 (0.51) MAPTNOX4CYP1A2SRCPRKACA
SCHEMBL7989452 0.87 MAPT (0.49) MAPTCYP1A2TDP1ALDH1A1LMNA
SCHEMBL7998971 0.87 MAPT (0.49) MAPTCYP1A2TDP1ALDH1A1LMNA
SCHEMBL7988582 0.84 ALDH1A1 (0.45) MAPTPOLBCYP1A2TDP1ALDH1A1
SCHEMBL6579100 0.81 TTR (0.40) MAPTSRCPRKACAPRKACGPRKACB
SCHEMBL7978033 0.80 CFTR (0.47) MAPTNOX4SRCPRKACAPRKACG
SCHEMBL8001583 0.80 ALDH1A1 (0.44) MAPTNOX4CYP1A2SRCTDP1
SCHEMBL7998708 0.79 CNR2 (0.43) MAPTPOLBNOX4CYP1A2TDP1
SCHEMBL8001668 0.79 CYP1A2 (0.41) MAPTNOX4CYP1A2SRCPRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed